2-(azocan-1-ylsulfonyl)propanoic acid

C10H19NO4S — CID 61454612

IUPAC2-(azocan-1-ylsulfonyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N1CCCCCCC1
InChIInChI=1S/C10H19NO4S/c1-9(10(12)13)16(14,15)11-7-5-3-2-4-6-8-11/h9H,2-8H2,1H3,(H,12,13)
InChIKeyPJSNLALHUSYWOC-UHFFFAOYSA-N
MW249.33 g/mol
LogP1.06
Rot. Bonds3

About 2-(azocan-1-ylsulfonyl)propanoic acid

2-(azocan-1-ylsulfonyl)propanoic acid (PubChem CID 61454612) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-(azocan-1-ylsulfonyl)propanoic acid.

Molecular Properties

Compound Name2-(azocan-1-ylsulfonyl)propanoic acid
PubChem CID61454612
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name2-(azocan-1-ylsulfonyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N1CCCCCCC1
InChIInChI=1S/C10H19NO4S/c1-9(10(12)13)16(14,15)11-7-5-3-2-4-6-8-11/h9H,2-8H2,1H3,(H,12,13)
InChIKeyPJSNLALHUSYWOC-UHFFFAOYSA-N
XLogP1.06
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-carbamoylpiperidin-1-yl)sulfonylpropanoic acid
CID 54947165
2-(3-methylpiperidin-1-yl)sulfonylpropanoic acid
CID 61454331
2-[4-(dimethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid
CID 61457983
2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]sulfonylpropanoic acid
CID 61458277
2-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpropanoic acid
CID 103355712
2-(4-phenylpiperidin-1-yl)sulfonylpropanoic acid
CID 61457828
2-(2-ethylazepan-1-yl)sulfonylpropanoic acid
CID 104689170
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)propanoic acid
CID 54947759
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)propanoic acid
CID 82747844
4-(azepan-1-ylsulfonylamino)-2-methylbutanoic acid
CID 80540504
2-(2-methylpyrrolidin-1-yl)sulfonylpropanoic acid
CID 61458091
2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propanoic acid
CID 131114926

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-ylsulfonyl)propanoic acid?
The IUPAC name of 2-(azocan-1-ylsulfonyl)propanoic acid (CID 61454612) is 2-(azocan-1-ylsulfonyl)propanoic acid.
What is the SMILES notation for 2-(azocan-1-ylsulfonyl)propanoic acid?
The canonical SMILES for 2-(azocan-1-ylsulfonyl)propanoic acid is CC(C(=O)O)S(=O)(=O)N1CCCCCCC1.
What is the InChIKey of 2-(azocan-1-ylsulfonyl)propanoic acid?
The InChIKey is PJSNLALHUSYWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-9(10(12)13)16(14,15)11-7-5-3-2-4-6-8-11/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 2-(azocan-1-ylsulfonyl)propanoic acid?
2-(azocan-1-ylsulfonyl)propanoic acid has a molecular weight of 249.33 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-ylsulfonyl)propanoic acid is sourced from PubChem (CID 61454612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).